SCHEMBL10407400

SCHEMBL10407400

CCOC(=O)[C@@H]1CCCN(CC/C=C(/c2ccccc2C)c2cccn2C)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 9/20 0.64
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10407018 1.00 SLC6A1 (0.64) SLC6A1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9524266 0.89 SLC6A1 (0.60) SLC6A1ALDH1A1KDM4E
SCHEMBL9524268 0.89 SLC6A1 (0.60) SLC6A1ALDH1A1KDM4E
SCHEMBL9526346 0.89 SLC6A1 (0.60) SLC6A1ALDH1A1KDM4E
SCHEMBL9526354 0.89 SLC6A1 (0.60) SLC6A1ALDH1A1KDM4E
SCHEMBL8820163 0.89 SLC6A1 (0.81) SLC6A1ALDH1A1
SCHEMBL8820157 0.89 SLC6A1 (0.81) SLC6A1ALDH1A1
Hydrochloric Acid SCHEMBL10407201 0.88 SLC6A1 (0.80) SLC6A1ALDH1A1
SCHEMBL9528639 0.84 SLC6A1 (0.69) SLC6A1
SCHEMBL9528633 0.84 SLC6A1 (0.69) SLC6A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4931450-A Amino acid derivatives NOVO INDUSTRI A/S (DK) 1990-06-05 US disclosed